| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | [(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl] acetate |
| InChI : | InChI=1/C16H26O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h8,10,13,15H,7,9H2,1-6H3 |
| InChIKey : | TYUPZTIJMKMYHL-UHFFFAOYAG |
| SMILES : | CC1=CCCC(C1\C=C(/C)\C(C)OC(=O)C)(C)C |
| (EINECS) number : | 271-437-4 |
| cas number : | 68555-61-3 |
| fema number : | 3845 |
| jecfa number : | 1410 |
| molar refractivity : | 77.15 ± 0.3 cm3 |
| parachor : | 626.8 ± 6.0 cm3 |
| index of refraction : | 1.501 ± 0.02 |
| surface tension : | 32.9 ± 3.0 dyne/cm |
| density : | 0.956 ± 0.06 g/cm3 |
| polarizability : | 30.58 ± 0.5 10-24cm3 |
| xlogp : | 4.90 |
| molecular weight : | 250.3764400 |
| formula : | C16 H26 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | powdery violet woody vetiver fruity floral |
| taste description³ : | at 1.00 - 20.00 ppm. Woody, powdery, floral with ionone and berry nuances. It has a lingering cherry-red licorice-candy aftertaste |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 94.00 - 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93000 - 0.94000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.739 to 7.822
|
| refractive index : | 1.47000 - 1.48000 @ 20.00 °C.
|
| boiling point : | 90.00 °C. @ 1.00 mm Hg
|
| logp : | 5.68 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 210.00 °F. TCC ( 98.89 °C. )
|
| | |
| recommendation for methyl ionyl acetate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
|
| | |
| recommendation for methyl ionyl acetate usage levels up to : |
| | 20.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 271-437-4 |
| chemidplus : | 068555613 |
| epa-srs : | 68555-61-3 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 686816 |
| | |
| reference : | Mosciano, Gerard P&F 25, No. 1, 49, (2000)³ |